⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL304734 | 1.00 | — | — | |
| SCHEMBL27500744 | 1.00 | ALDH1A1 (0.33) | — | |
| SCHEMBL331577 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL332580 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL2342421 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL3894048 | 0.96 | — | — | |
| SCHEMBL2347672 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL2350013 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL2345604 | 0.96 | ALDH1A1 (0.38) | — | |
| SCHEMBL2345704 | 0.96 | ALDH1A1 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0773939-B1 | DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | UNIV VANDERBILT (US) | 2008-02-06 | — | — | EP | disclosed |